Direct Computation of the Quantum Partition Function by Path-Integral Nested Sampling
نویسندگان
چکیده
منابع مشابه
Preliminary Results For Computation of the Grand Canonical Partition Function Using Nested Sampling
2 Computing the Partition Function From Nested Sampling The μVT system enforces a constant chemical potential, constant volume, and constant temperature. Unlike the the canonical or isothermal-isobaric systems the μVT system is allowed to exchange particles with the external bath, i.e. the number of particles within the constant volume of our system is allowed to change. The partition function ...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2018
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.8b00368